Mrv0541 02241205052D          

  9  6  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    3.3589    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5339    0.0000    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -2.3645    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0825   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950   -1.6500    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1189

> <DATABASE_NAME>
t3db

> <SMILES>
O=[Cu].O=[Cu].O=[Cr]O[Cr]=O

> <INCHI_IDENTIFIER>
InChI=1S/2Cr.2Cu.5O

> <INCHI_KEY>
JGDFBJMWFLXCLJ-UHFFFAOYSA-N

> <FORMULA>
Cr2Cu2O5

> <MOLECULAR_WEIGHT>
311.081

> <EXACT_MASS>
309.714799076

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
7.355899180418524

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxo[(oxochromio)oxy]chromium; bis(oxocopper)

> <JCHEM_LOGP>
-1.3316

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9690778890174876

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
4.236

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
chromia; bis(copper(II) oxide)

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1189

> <NAME>
Copper chromite

> <CAS>
12053-18-8

> <SYNONYMS>
Copper chromite catalyst; Copperchromium oxide

> <TYPES>
Inorganic Compound; Chromium Compound; Copper Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

$$$$